SCHEMBL21803769

SCHEMBL21803769

Cc1cnccc1-c1cc2ccccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
RECQL P46063 1/20 0.53
ADRA2A P08913 1/20 0.47
PDE10A Q9Y233 2/20 0.45
PDE2A O00408 1/20 0.45
TOP2A P11388 1/20 0.43
SLC6A2 P23975 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IDO1 P14902 1/20 0.41
GRM4 Q14833 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1605984 0.81 MAPT (0.51) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL30078373 0.80 MAPT (0.67) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL9241728 0.80 MAPT (0.67) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL1605408 0.77 MAPT (0.51) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL7808056 0.75 KMT2A (0.67) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL10103705 0.74 KMT2A (0.76) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL14961246 0.73 CHRNB2 (0.48) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL15558669 0.72 MAPT (0.44) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL1459189 0.72 CYP17A1 (0.48) PDE10ASLC6A2CYP11B2CYP17A1
SCHEMBL28888813 0.70 KMT2A (0.59) MAPTKMT2AKDM4EMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WATKINS EDMOND BLAKE (US) 2021-12-30 US disclosed
US-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WATKINS EDMOND BLAKE (US) 2021-12-30 US disclosed
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds UNION UNIVERSITY (US) 2021-09-14 US disclosed
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds UNION UNIVERSITY (US) 2021-09-14 US disclosed
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS UNION UNIVERSITY 2020-03-26 US disclosed
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS UNION UNIVERSITY 2020-03-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210403470-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 MAPT 3633/4885KMT2A 2316/4885KDM4E 2177/4885
US-11117893-B2 Methods for preparation of substituted pyridines and related novel compounds NNMT, CYP4F3, AGPS MAPT 3538/4885KMT2A 2314/4885KDM4E 2302/4885
US-20200095245-A1 NOVEL METHODS FOR PREPARATION OF SUBSTITUTED PYRIDINES AND RELATED NOVEL COMPOUNDS WEE1, WEE2, THEM6 MAPT 3633/4885KMT2A 2316/4885KDM4E 2177/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.